2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C19H19N3O3S — CID 50830665

IUPAC2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(Nc3ccccc3)n2)c1OC
InChIInChI=1S/C19H19N3O3S/c1-24-16-10-6-7-13(17(16)25-2)11-20-18(23)15-12-26-19(22-15)21-14-8-4-3-5-9-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDKYNTYQVYBJXAF-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.83
Rot. Bonds7

About 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 50830665) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID50830665
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(Nc3ccccc3)n2)c1OC
InChIInChI=1S/C19H19N3O3S/c1-24-16-10-6-7-13(17(16)25-2)11-20-18(23)15-12-26-19(22-15)21-14-8-4-3-5-9-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDKYNTYQVYBJXAF-UHFFFAOYSA-N
XLogP3.83
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 91460435
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 53364342
N-[(2,3-dimethoxyphenyl)methyl]-1-phenyltriazole-4-carboxamide
CID 46546722
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 27377989
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509990
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 50830665) is 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1cccc(CNC(=O)c2csc(Nc3ccccc3)n2)c1OC.
What is the InChIKey of 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DKYNTYQVYBJXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-16-10-6-7-13(17(16)25-2)11-20-18(23)15-12-26-19(22-15)21-14-8-4-3-5-9-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50830665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).